4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-4.110875832113999 stress="0.008651077927209266 -0.03316431701047693 -0.19638175375199632 -0.03316431701047693 0.5570251093714009 -0.06372363565805944 -0.19638175375199632 -0.06372363565805944 -0.09070614975002027" free_energy=-4.110875832113999 pbc="F T F" Cu 0.29119256 2.80691229 0.16188986 -2.14484145 -1.35993017 -4.19159099 H 1.44564997 1.41364803 0.00795817 -1.82274857 -0.08529872 1.35232498 Cu 1.26680101 2.90920482 1.23108817 2.10641928 1.05806378 3.74290336 H 0.19215061 1.66717744 1.64995810 1.86117074 0.38716512 -0.90363736